⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3357323 | 0.73 | LTA4H (0.33) | — | |
| SCHEMBL503407 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL13518173 | 0.72 | — | — | |
| SCHEMBL4921731 | 0.72 | — | — | |
| SCHEMBL17046664 | 0.71 | — | — | |
| SCHEMBL15324353 | 0.69 | — | — | |
| SCHEMBL4159446 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL980439 | 0.69 | — | — | |
| SCHEMBL9189179 | 0.69 | — | — | |
| SCHEMBL11703464 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050203108-A1 | Glucagon antagonists/inverse agonists | PFIZER INC | 2005-09-15 | — | — | US | disclosed |